General
Preferred name
QUINIZARIN
Synonyms
1,4-Dihydroxyanthraquinone ()
P&D ID
PD000118
CAS
103220-12-8
81-64-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 230
DESCRIPTION Quinizarin (1,4-Dihydroxyanthraquinone) is a natural product (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugMAP
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
240.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
1.87
TPSA
74.6
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
QED
0.59
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Microbiology/virology
Target
Antifungal
DNA/RNA Synthesis
Fungal
Source data